2-pentyl-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-3-one

Systemtic Name: 2-pentyl-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-3-one Openeye Name: 2-pentyl-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-3-one CAS Name: 2-pentyl-4-[4-(1-piperazinyl)phenyl]-1,2,4-triazol-3-one IUPAC Name: 2-pentyl-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-3-one Traditional Name: 2-amyl-4-(4-piperazinophenyl)-1,2,4-triazol-3-one Formula: C17H25N5O MolecularWeight: 315.4133

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCNCC3

Isomeric SMILES

CCCCCN1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCNCC3

InChI

InChI=1S/C17H25N5O/c1-2-3-4-11-22-17(23)21(14-19-22)16-7-5-15(6-8-16)20-12-9-18-10-13-20/h5-8,14,18H,2-4,9-13H2,1H3